0 B22R3.239402486 Cn1c(=O)c2c(ncn2CCN3CCCC3)n(c1=O)C 2230a_100000188435_100000039610 [0,0,0,0,0,1|3,0,0]=4 1 B22R3.239402486 Cn1c(=O)c2c(ncn2CCN3CCCC3)n(c1=O)C 269982a_100000188435_100000039610 [0,0,0,0,0,1|3,0,0]=4 2 B21R2.1170306 C#C[C@@H](C)OCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100009815206_100000039610 [0,1,1,0,0,0|1,0,1]=4 3 B21R2.1170306 C#C[C@@H](C)OCCn1cnc2c1c(=O)n(c(=O)n2C)C 7a_100009815206_100000039610 [0,1,1,0,0,0|1,0,1]=4 4 B21R2.1170306 C=CC(C)OCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100000695699_100000039610 [0,1,1,0,0,0|1,0,1]=4 5 B21R2.1170306 CC(C#N)OCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100011218135_100000039610 [0,1,1,0,0,0|1,0,1]=4 6 B21R2.1170306 CC(CF)OCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100016041109_100000039610 [0,1,1,0,0,0|1,0,0]=3 7 B21R2.1170306 CC(CF)OCCn1cnc2c1c(=O)n(c(=O)n2C)C 7a_100016041109_100000039610 [0,1,1,0,0,0|1,0,0]=3 8 B21R2.1170306 CC(CN)OCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100000210904_100000039610 [0,1,1,0,0,0|1,0,0]=3 9 B21R2.1170306 CC(CO)SCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100012180447_100000039610 [0,1,1,0,0,0|0,1,0]=3 10 B21R2.1170306 CCC(C)NCCn1cnc2c1c(=O)n(c(=O)n2C)C 2230a_100000209981_100000039610 [0,1,1,0,0,0|2,0,0]=4 11 B21R2.1170306 CCC(C)OCCn1cnc2c1c(=O)n(c(=O)n2C)C 7a_100000210228_100000039610 [0,1,1,0,0,0|1,0,0]=3 12 B21R2.1170306 CCC(C)SCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000039610_100000758301 [0,1,1,0,0,0|1,1,0]=4 13 B21R2.1170306 CCC(C)SCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000758301_100000039610 [0,1,1,0,0,0|1,1,0]=4 14 B21R2.1170306 C[C@H](CO)NCCn1cnc2c1c(=O)n(c(=O)n2C)C 2230a_100000737577_100000039610 [0,1,1,0,0,0|1,0,0]=3 15 B21R2.1170306 C[C@H](CO)SCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000039610_100016084084 [0,1,1,0,0,0|0,1,0]=3 16 B21R2.1170306 C[C@H](CO)SCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100016084084_100000039610 [0,1,1,0,0,0|0,1,0]=3 17 B21R2.1170306 Cn1c(=O)c2c(ncn2CCCC(=O)CO)n(c1=O)C 1458a_100000210174_100020672187 [0,1,1,0,0,0|1,0,1]=4 18 B21R2.1934150 C#CCCNCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100000755551_100000039610 [0,1,1,0,0,0|2,0,0]=4 19 B21R2.1934150 C#CCCOCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100011215631_100000039610 [0,1,1,0,0,0|1,0,0]=3 20 B21R2.1934150 C#CCCSCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000039610_100000688953 [0,1,1,0,0,0|1,1,0]=4 21 B21R2.1934150 C#CCCSCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000688953_100000039610 [0,1,1,0,0,0|1,1,0]=4 22 B21R2.1934150 C#CCOCCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100000210247_100020672187 [0,1,1,0,0,0|1,0,1]=4 23 B21R2.1934150 C/C=C/COCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100016270725_100000039610 [0,1,1,0,0,0|1,0,1]=4 24 B21R2.1934150 C=CCCNCCn1cnc2c1c(=O)n(c(=O)n2C)C 2230a_100015191253_100000039610 [0,1,1,0,0,0|2,0,0]=4 25 B21R2.1934150 C=CCCOCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100011205117_100000039610 [0,1,1,0,0,0|1,0,0]=3 26 B21R2.1934150 C=CCCSCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000039610_100000754431 [0,1,1,0,0,0|1,1,0]=4 27 B21R2.1934150 C=CCCSCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000754431_100000039610 [0,1,1,0,0,0|1,1,0]=4 28 B21R2.1934150 C=CCOCCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_200000210373_100020672187 [0,1,1,0,0,0|1,0,1]=4 29 B21R2.1934150 CC#CCOCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100000761923_100000039610 [0,1,1,0,0,0|1,0,1]=4 30 B21R2.1934150 CCCCNCCn1cnc2c1c(=O)n(c(=O)n2C)C 2230a_100000102301_100000039610 [0,1,1,0,0,0|2,0,0]=4 31 B21R2.1934150 CCCCNCCn1cnc2c1c(=O)n(c(=O)n2C)C 7a_106832991798_100000039610 [0,1,1,0,0,0|2,0,0]=4 32 B21R2.1934150 CCCCOCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100000210227_100000039610 [0,1,1,0,0,0|1,0,0]=3 33 B21R2.1934150 CCCCOCCn1cnc2c1c(=O)n(c(=O)n2C)C 7a_100000210227_100000039610 [0,1,1,0,0,0|1,0,0]=3 34 B21R2.1934150 CCCCSCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000039610_100000210210 [0,1,1,0,0,0|1,1,0]=4 35 B21R2.1934150 CCCCSCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000210211_100000039610 [0,1,1,0,0,0|1,1,0]=4 36 B21R2.1934150 CCCOCCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100000210258_100020672187 [0,1,1,0,0,0|1,0,0]=3 37 B21R2.1934150 CCCSCCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000210303_100020672187 [0,1,1,0,0,0|1,1,0]=4 38 B21R2.1934150 CCCSCCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100020672187_100000210303 [0,1,1,0,0,0|1,1,0]=4 39 B21R2.1934150 CCOCSCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000039610_100000739092 [0,1,1,0,0,0|1,1,0]=4 40 B21R2.1934150 CCOCSCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000739092_100000039610 [0,1,1,0,0,0|1,1,0]=4 41 B21R2.1934150 COCCNCCn1cnc2c1c(=O)n(c(=O)n2C)C 2230a_100000209980_100000039610 [0,1,1,0,0,0|1,0,0]=3 42 B21R2.1934150 COCCOCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100000210237_100000039610 [0,1,1,0,0,0|0,0,0]=2 43 B21R2.1934150 COCCSCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000039610_100000233755 [0,1,1,0,0,0|0,1,0]=3 44 B21R2.1934150 COCCSCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000233755_100000039610 [0,1,1,0,0,0|0,1,0]=3 45 B21R2.1934150 COCSCCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000766300_100020672187 [0,1,1,0,0,0|2,0,0]=4 46 B21R2.1934150 COCSCCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100020672187_100000766300 [0,1,1,0,0,0|2,0,0]=4 47 B21R2.1934150 CSCCNCCn1cnc2c1c(=O)n(c(=O)n2C)C 2230a_100020590264_100000039610 [0,1,1,0,0,0|1,1,0]=4 48 B21R2.1934150 CSCCOCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100000230434_100000039610 [0,1,1,0,0,0|0,1,0]=3 49 B21R2.1934150 CSCCOCCn1cnc2c1c(=O)n(c(=O)n2C)C 7a_100000230434_100000039610 [0,1,1,0,0,0|0,1,0]=3 50 B21R2.1934150 CSCCSCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000039610_100000751147 [0,1,1,0,0,0|0,2,0]=4 51 B21R2.1934150 CSCCSCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000212216_100000039610 [0,1,1,0,0,0|0,2,0]=4 52 B21R2.1934150 Cn1c(=O)c2c(ncn2CCCNCCF)n(c1=O)C 34a_100000724931_100020672187 [0,1,1,0,0,0|2,0,0]=4 53 B21R2.1934150 Cn1c(=O)c2c(ncn2CCCNCCO)n(c1=O)C 2230a_100016997473_100020672187 [0,1,1,0,0,0|1,0,0]=3 54 B21R2.1934150 Cn1c(=O)c2c(ncn2CCCNCCO)n(c1=O)C 34a_100016990907_100020672187 [0,1,1,0,0,0|1,0,0]=3 55 B21R2.1934150 Cn1c(=O)c2c(ncn2CCCOCCBr)n(c1=O)C 34a_100000211926_100020672187 [0,1,1,0,0,0|1,0,0]=3 56 B21R2.1934150 Cn1c(=O)c2c(ncn2CCCOCCN)n(c1=O)C 34a_100000210304_100020672187 [0,1,1,0,0,0|1,0,0]=3 57 B21R2.1934150 Cn1c(=O)c2c(ncn2CCCSCCF)n(c1=O)C 62a_100011217306_100020672187 [0,1,1,0,0,0|1,1,0]=4 58 B21R2.1934150 Cn1c(=O)c2c(ncn2CCCSCCF)n(c1=O)C 62a_100020672187_100011217306 [0,1,1,0,0,0|1,1,0]=4 59 B21R2.1934150 Cn1c(=O)c2c(ncn2CCCSCCO)n(c1=O)C 62a_100000211926_100020672187 [0,1,1,0,0,0|0,1,0]=3 60 B21R2.1934150 Cn1c(=O)c2c(ncn2CCCSCCO)n(c1=O)C 62a_100020672187_100000211926 [0,1,1,0,0,0|0,1,0]=3 61 B21R2.1934150 Cn1c(=O)c2c(ncn2CCNCCCF)n(c1=O)C 2230a_100015189416_100000039610 [0,1,1,0,0,0|2,0,0]=4 62 B21R2.1934150 Cn1c(=O)c2c(ncn2CCNCCCF)n(c1=O)C 34a_100015189416_100000039610 [0,1,1,0,0,0|2,0,0]=4 63 B21R2.1934150 Cn1c(=O)c2c(ncn2CCOCCCBr)n(c1=O)C 34a_100011217188_100000039610 [0,1,1,0,0,0|1,0,0]=3 64 B21R2.1934150 Cn1c(=O)c2c(ncn2CCOCCCCl)n(c1=O)C 34a_100000230001_100000039610 [0,1,1,0,0,0|1,0,0]=3 65 B21R2.1934150 Cn1c(=O)c2c(ncn2CCOCCCF)n(c1=O)C 34a_100000759539_100000039610 [0,1,1,0,0,0|1,0,0]=3 66 B21R2.1934150 Cn1c(=O)c2c(ncn2CCOCCCN)n(c1=O)C 34a_100000182051_100000039610 [0,1,1,0,0,0|1,0,0]=3 67 B21R2.1934150 Cn1c(=O)c2c(ncn2CCOCCON)n(c1=O)C 34a_100000700252_100000039610 [0,1,1,0,0,0|0,0,0]=2 68 B21R2.1934150 Cn1c(=O)c2c(ncn2CCSCCC#N)n(c1=O)C 62a_100000039610_100011215226 [0,1,1,0,0,0|1,1,0]=4 69 B21R2.1934150 Cn1c(=O)c2c(ncn2CCSCCC#N)n(c1=O)C 62a_100011215226_100000039610 [0,1,1,0,0,0|1,1,0]=4 70 B21R2.1934150 Cn1c(=O)c2c(ncn2CCSCCCF)n(c1=O)C 62a_100000039610_100011934791 [0,1,1,0,0,0|1,1,0]=4 71 B21R2.1934150 Cn1c(=O)c2c(ncn2CCSCCCF)n(c1=O)C 62a_100011934791_100000039610 [0,1,1,0,0,0|1,1,0]=4 72 B21R2.1934150 Cn1c(=O)c2c(ncn2CCSCCCO)n(c1=O)C 62a_100000039610_100011215043 [0,1,1,0,0,0|0,1,0]=3 73 B21R2.1934150 Cn1c(=O)c2c(ncn2CCSCCCO)n(c1=O)C 62a_100011215043_100000039610 [0,1,1,0,0,0|0,1,0]=3 74 B21R2.5288511 CCCC(=O)CCn1cnc2c1c(=O)n(c(=O)n2C)C 1458a_100000211992_100000039610 [0,1,1,0,0,0|2,0,0]=4 75 B21R2.5288511 CCCN(C)CCn1cnc2c1c(=O)n(c(=O)n2C)C 2230a_100000747261_100000039610 [0,1,1,0,0,0|2,0,0]=4 76 B21R2.5288511 CCCN(C)CCn1cnc2c1c(=O)n(c(=O)n2C)C 269982a_100000747261_100000039610 [0,1,1,0,0,0|2,0,0]=4 77 B21R2.5288511 CN(CCO)CCn1cnc2c1c(=O)n(c(=O)n2C)C 2230a_100000210263_100000039610 [0,1,1,0,0,0|1,0,0]=3 78 B21R2.5288511 CN(CCO)CCn1cnc2c1c(=O)n(c(=O)n2C)C 269982a_100000210263_100000039610 [0,1,1,0,0,0|1,0,0]=3 79 B21R2.5288511 Cn1c(=O)c2c(ncn2CCC(=O)CCO)n(c1=O)C 1458a_100011216618_100000039610 [0,1,1,0,0,0|1,0,0]=3 80 B21R2.52919776 C=C(C)COCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100000210245_100000039610 [0,1,1,0,0,0|1,0,1]=4 81 B21R2.52919776 C=C(F)COCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_200010262243_100000039610 [0,1,1,0,0,0|1,0,1]=4 82 B21R2.52919776 CC(=O)COCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100000211253_100000039610 [0,1,1,0,0,0|0,0,2]=4 83 B21R2.52919776 CC(Br)COCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100012180447_100000039610 [0,1,1,0,0,0|1,0,0]=3 84 B21R2.52919776 CC(C)CNCCn1cnc2c1c(=O)n(c(=O)n2C)C 2230a_100000210953_100000039610 [0,1,1,0,0,0|2,0,0]=4 85 B21R2.52919776 CC(C)CNCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100000210953_100000039610 [0,1,1,0,0,0|2,0,0]=4 86 B21R2.52919776 CC(C)COCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100000210257_100000039610 [0,1,1,0,0,0|1,0,0]=3 87 B21R2.52919776 CC(C)CSCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000039610_100000210760 [0,1,1,0,0,0|1,1,0]=4 88 B21R2.52919776 CC(C)CSCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000210624_100000039610 [0,1,1,0,0,0|1,1,0]=4 89 B21R2.52919776 CC(F)COCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100015925927_100000039610 [0,1,1,0,0,0|1,0,0]=3 90 B21R2.52919776 CC(O)CNCCn1cnc2c1c(=O)n(c(=O)n2C)C 2230a_100000210904_100000039610 [0,1,1,0,0,0|1,0,0]=3 91 B21R2.52919776 CC(O)CNCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100000210904_100000039610 [0,1,1,0,0,0|1,0,0]=3 92 B21R2.52919776 CC(O)CSCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000039610_100011218427 [0,1,1,0,0,0|0,1,0]=3 93 B21R2.52919776 CC(O)CSCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100011218427_100000039610 [0,1,1,0,0,0|0,1,0]=3 94 B21R2.52919776 C[C@@H](Cl)COCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100016084084_100000039610 [0,1,1,0,0,0|1,0,0]=3 95 B21R2.52919776 C[C@@H](N)COCCn1cnc2c1c(=O)n(c(=O)n2C)C 34a_100000737577_100000039610 [0,1,1,0,0,0|1,0,0]=3 96 B21R2.52919776 C[C@@H](O)CSCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100000039610_100009817552 [0,1,1,0,0,0|0,1,0]=3 97 B21R2.52919776 C[C@@H](O)CSCCn1cnc2c1c(=O)n(c(=O)n2C)C 62a_100009817552_100000039610 [0,1,1,0,0,0|0,1,0]=3 98 B21R2.52919776 Cn1c(=O)c2c(ncn2CCNCC(=O)O)n(c1=O)C 269956a_100016091260_100000039610 [0,1,1,0,0,0|1,0,1]=4 99 B21R2.52919776 Cn1c(=O)c2c(ncn2CCNCC(F)F)n(c1=O)C 34a_100000765723_100000039610 [0,1,1,0,0,0|2,0,0]=4 100 B21R2.52919776 Cn1c(=O)c2c(ncn2CCOCC(F)F)n(c1=O)C 34a_100000743014_100000039610 [0,1,1,0,0,0|1,0,0]=3 101 B21R2.52919776 Cn1c(=O)c2c(ncn2CCSCC(F)F)n(c1=O)C 62a_100000039610_100011934356 [0,1,1,0,0,0|1,1,0]=4 102 B21R2.52919776 Cn1c(=O)c2c(ncn2CCSCC(F)F)n(c1=O)C 62a_100011934356_100000039610 [0,1,1,0,0,0|1,1,0]=4 103 B23R3.89179219 Cn1c(=O)c2c(ncn2CC(=O)C3CCCC3)n(c1=O)C 1458a_100000499738_100000179811 [0,1,0,0,0,1|2,0,0]=4 104 B23R3.89179218 Cn1c(=O)c2c(ncn2CCN3CCCOC3)n(c1=O)C 2230a_100000131196_100000039610 [0,0,0,0,0,2|2,0,0]=4 105 B23R3.89179218 Cn1c(=O)c2c(ncn2CCN3CCCOC3)n(c1=O)C 269982a_100000131196_100000039610 [0,0,0,0,0,2|2,0,0]=4 106 B23R3.89179218 Cn1c(=O)c2c(ncn2CCN3CCCOC3)n(c1=O)C 34a_100000131196_100000039610 [0,0,0,0,0,2|2,0,0]=4 107 B23R3.475751284 Cn1c(=O)c2c(ncn2CCNC3CCCC3)n(c1=O)C 2230a_100000211070_100000039610 [0,0,0,0,0,2|2,0,0]=4 108 B23R3.475751284 Cn1c(=O)c2c(ncn2CCNC3CCCC3)n(c1=O)C 34a_100000211070_100000039610 [0,0,0,0,0,2|2,0,0]=4 109 B23R3.475751284 Cn1c(=O)c2c(ncn2CCOC3CCCC3)n(c1=O)C 34a_100000210269_100000039610 [0,0,0,0,0,2|2,0,0]=4 110 B23R3.475751284 Cn1c(=O)c2c(ncn2CCOC3CCCC3)n(c1=O)C 7a_100000210269_100000039610 [0,0,0,0,0,2|2,0,0]=4 111 B23R3.475751284 Cn1c(=O)c2c(ncn2CCOC3CCCO3)n(c1=O)C 34a_100000085407_100000039610 [0,0,0,0,0,2|1,0,0]=3 112 B23R3.475751284 Cn1c(=O)c2c(ncn2CCSC3CCCC3)n(c1=O)C 62a_100000039610_100000179811 [0,0,0,0,0,2|2,0,0]=4 113 B23R3.475751284 Cn1c(=O)c2c(ncn2CCSC3CCCC3)n(c1=O)C 62a_100011217020_100000039610 [0,0,0,0,0,2|2,0,0]=4